SCHEMBL18048925

SCHEMBL18048925

O=C(Nc1ccc(C(F)(F)F)nc1)c1cccnc1NCC1CCCCC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CRACR2A Q9BSW2 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18071000 1.00 KDR (0.46) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070998 1.00 KDR (0.46) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070882 0.88 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070943 0.88 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048930 0.88 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070885 0.88 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070976 0.88 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070977 0.87 USP30 (0.39) KMT2ATRPV1ALDH1A1HPGDCLK2
SCHEMBL18049022 0.87 USP30 (0.39) KMT2ATRPV1ALDH1A1HPGDCLK2
SCHEMBL18070934 0.87 USP30 (0.39) KMT2ATRPV1ALDH1A1HPGDCLK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO claimed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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